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Title: Mechanism of vacancy formation induced by hydrogen in tungsten

We report a hydrogen induced vacancy formation mechanism in tungsten based on classical molecular dynamics simulations. We demonstrate the vacancy formation in tungsten due to the presence of hydrogen associated directly with a stable hexagonal self-interstitial cluster as well as a linear crowdion. The stability of different self-interstitial structures has been further studied and it is particularly shown that hydrogen plays a crucial role in determining the configuration of SIAs, in which the hexagonal cluster structure is preferred. Energetic analysis has been carried out to prove that the formation of SIA clusters facilitates the formation of vacancies. Such a mechanism contributes to the understanding of the early stage of the hydrogen blistering in tungsten under a fusion reactor environment.
Authors:
 [1] ;  [2] ; ; ;  [3] ; ; ;  [1] ;  [4]
  1. School of Physics and Nuclear Energy Engineering, Beihang University, Beijing, 100191 (China)
  2. (Finland)
  3. Association EURATOM-TEKES, University of Helsinki, Helsinki, PO Box 64, 00560 (Finland)
  4. Institute of Plasma Physics, Chinese Academy of Sciences, Hefei, Anhui, 230031 (China)
Publication Date:
OSTI Identifier:
22251262
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Advances; Journal Volume: 3; Journal Issue: 12; Other Information: (c) 2013 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; HYDROGEN; MOLECULAR DYNAMICS METHOD; SIMULATION; STABILITY; THERMONUCLEAR REACTORS; TUNGSTEN; VACANCIES